[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

C26H36ClN7O — CID 92889606

About [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 92889606) has the molecular formula C26H36ClN7O and a molecular weight of 498.08 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 92889606
• Molecular Formula: C26H36ClN7O
• Molecular Weight: 498.08 g/mol
• Exact Mass: 497.27
• IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nn2)CC1
• InChI: InChI=1S/C26H36ClN7O/c1-2-30-11-13-32(14-12-30)24-8-9-25(29-28-24)34-10-4-5-21(20-34)26(35)33-17-15-31(16-18-33)23-7-3-6-22(27)19-23/h3,6-9,19,21H,2,4-5,10-18,20H2,1H3/t21-/m0/s1
• InChIKey: BYDVFPSWVQGBFZ-NRFANRHFSA-N
• XLogP: 2.84
• TPSA: 59.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.08
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 92889606) is [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is CCN1CCN(c2ccc(N3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nn2)CC1.

What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is BYDVFPSWVQGBFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H36ClN7O/c1-2-30-11-13-32(14-12-30)24-8-9-25(29-28-24)34-10-4-5-21(20-34)26(35)33-17-15-31(16-18-33)23-7-3-6-22(27)19-23/h3,6-9,19,21H,2,4-5,10-18,20H2,1H3/t21-/m0/s1.

What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 498.08 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 92889606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).